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CS-W001157 4
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1H-pyrazol-1-ylacetic acid

  • CAS No. 16034-48-3

  • Cat. No. CS-W002537
  • Purity≥97%
  • MDL No.MFCD00228774

*For research and further manufacturing use only, not for direct human use.

1H-pyrazol-1-ylacetic acid|CS-W002537

Structure of 16034-48-3

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General Information

  • CAS No. 16034-48-3
  • Cat. No. CS-W002537
  • Purity ≥97%
  • MDL No. MFCD00228774
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆N₂O₂
  • Molecular Weight 126.11
  • Synonym(s) 2-(1H-Pyrazol-1-Yl)Acetic Acid
  • SMILES O=C(O)CN1C=CC=N1

Description

1H-pyrazol-1-ylacetic acid features a pyrazole ring directly linked to a carboxylic acid-bearing acetyl side chain, enabling versatile conjugation in medicinal chemistry. This scaffold integrates readily into bioactive molecules, offering enhanced solubility and metabolic stability compared to simpler aryl analogs.

Application

1H-pyrazol-1-ylacetic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of pyrazole-based scaffolds through standard amide coupling and alkylation protocols. Its stability under routine reaction conditions and compatibility with diverse functional groups facilitate efficient access to bioactive molecules. The carboxylic acid moiety provides a handle for derivatization, while the pyrazole ring offers structural rigidity and hydrogen-bonding potential, making it a practical choice for lead optimization campaigns.

Synthesis

  • Route1

    References

    • Badalyan; Asratyan; Attaryan Russian Journal of General Chemistry, 2012 , vol. 82, # 5 p. 946 - 946
  • Route2
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    • In-stock
      1H-pyrazol-1-ylacetic acid|CS-W002537
      16034-48-3

    References

    • US4147792 A1, ;
  • Route3
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      26214-05-1
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      96-34-4
    • ~%
    • In-stock
      1H-pyrazol-1-ylacetic acid|CS-W002537
      16034-48-3

    References

    • US5972064 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   -0.0323
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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